LIPID MAPS

Structure Database (LMSD)

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Common Name

11-OH-trans-12(13)-EpOME

Systematic Name

11-hydroxy-trans-12,13-epoxy-9Z-octadecenoic acid

Synonyms

LM ID

LMFA02000468

Formula

C₁₈H₃₂O₄

Exact Mass

Calculate m/z

312.230061

Sum Composition

FA 18:2;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

No citation found

String Representations

InChiKey (Click to copy)

UZCLYICSWADYGM-BENRWUELSA-N

InChi (Click to copy)

InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-

SMILES (Click to copy)

C(CCCCCCC/C=C\C(O)C1OC1CCCCC)(=O)O

Other Databases

PubChem CID

57484312

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 1

Aromatic Rings

Rotatable Bonds 14

Van der Waals Molecular Volume 337.48

Topological Polar Surface Area 70.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 4.93

Molar Refractivity 89.44

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Created at

9th Jan 2025

Updated at